Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbaba7cf051e1fd72ada9169438d47af",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 22.342,
"b": 34.978,
"c": 31.140,
"alpha": 90.000,
"beta": 96.402,
"gamma": 90.000
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.950,1.550],
"number_observations_unique": 6888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 2624,
"number_observations_unique": 1010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [30.950,4.900],
"number_observations": 580,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}